(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone

C14H20N2O — CID 116613730

IUPAC(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ncccc2N)CC1C
InChIInChI=1S/C14H20N2O/c1-9-5-6-11(8-10(9)2)14(17)13-12(15)4-3-7-16-13/h3-4,7,9-11H,5-6,8,15H2,1-2H3
InChIKeyKYKBFNVAAGMORH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.92
Rot. Bonds2

About (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone

(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone (PubChem CID 116613730) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
PubChem CID116613730
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ncccc2N)CC1C
InChIInChI=1S/C14H20N2O/c1-9-5-6-11(8-10(9)2)14(17)13-12(15)4-3-7-16-13/h3-4,7,9-11H,5-6,8,15H2,1-2H3
InChIKeyKYKBFNVAAGMORH-UHFFFAOYSA-N
XLogP2.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 113447750
(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743120
(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
CID 64740028
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
(3-chloro-4-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 105105379
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
CID 65362935
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone (CID 116613730) is (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone is CC1CCC(C(=O)c2ncccc2N)CC1C.
What is the InChIKey of (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is KYKBFNVAAGMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-5-6-11(8-10(9)2)14(17)13-12(15)4-3-7-16-13/h3-4,7,9-11H,5-6,8,15H2,1-2H3.
What are the key properties of (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone?
(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116613730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).